Cas no 90968-62-0 (2-Bromo-3-(4-methoxyphenyl)-1-propene)

2-Bromo-3-(4-methoxyphenyl)-1-propene structure
90968-62-0 structure
Product Name:2-Bromo-3-(4-methoxyphenyl)-1-propene
CAS No:90968-62-0
MF:C10H11BrO
MW:227.097742319107
MDL:MFCD06201217
CID:879301
PubChem ID:2757050
Update Time:2025-04-23

2-Bromo-3-(4-methoxyphenyl)-1-propene Chemical and Physical Properties

Names and Identifiers

    • 1-(2-bromoprop-2-en-1-yl)-4-methoxybenzene
    • 1-(2-bromoprop-2-enyl)-4-methoxybenzene
    • 2-BroMo-3-(4-Methoxyphenyl)-1-propene
    • 90968-62-0
    • MFCD06201217
    • SCHEMBL15376901
    • DTXSID30373714
    • 1-(2-Bromoallyl)-4-methoxybenzene
    • CS-0363409
    • AKOS016016816
    • 2-Bromo-3-(4-methoxyphenyl)-1-propene
    • MDL: MFCD06201217
    • Inchi: 1S/C10H11BrO/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6H,1,7H2,2H3
    • InChI Key: UTFNFJGDWNXZAW-UHFFFAOYSA-N
    • SMILES: BrC(=C)CC1C=CC(=CC=1)OC

Computed Properties

  • Exact Mass: 225.99900
  • Monoisotopic Mass: 225.99933g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 148
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.8
  • Topological Polar Surface Area: 9.2?2

Experimental Properties

  • PSA: 9.23000
  • LogP: 3.14630

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Additional information on 2-Bromo-3-(4-methoxyphenyl)-1-propene

1-(2-bromoprop-2-en-1-yl)-4-methoxybenzene

1-(2-bromoprop-2-en-1-yl)-4-methoxybenzene is a synthetic organic compound with the CAS registry number 90968-62-0. This molecule belongs to the class of aromatic compounds, characterized by its unique structure that combines bromoalkenyl and methoxybenzene moieties. Its chemical name reflects its intricate structure, which includes a benzene ring substituted with a 2-bromoprop-2-en-1-yl group at the para position relative to a methoxy group (4-methoxybenzene derivative). This compound has garnered attention in recent years due to its potential applications in pharmaceuticals, agricultural chemicals, and material science.

The structure of 1-(2-bromoprop-2-en-1-yl)-4-methoxybenzene features a benzene ring with two substituents: a methoxy group at position 4 and a bromoalkenyl group at position 1. The bromoalkenyl group consists of a vinyl bromide moiety, which introduces reactivity typical of alkenes and halogenated compounds. This makes the compound versatile in various chemical reactions, including addition, substitution, and coupling reactions.

Recent studies have highlighted the potential of 1-(2-bromoprop-2-en-1-yl)-4-methoxybenzene in drug discovery. Its structural features, particularly the presence of both aromatic and alkenyl groups, make it a valuable intermediate for synthesizing bioactive molecules. For instance, researchers have explored its use in anticancer agents, leveraging its ability to undergo metabolic activation and target-specific interactions with cancer cells.

Another significant area of research involving this compound is its role in agricultural chemistry. The molecule's stability and reactivity make it a promising candidate for developing new pesticides, herbicides, and fungicides. Its ability to resist microbial degradation while maintaining efficacy under environmental conditions has been extensively studied, particularly in the context of sustainable agriculture.

Furthermore, 1-(2-bromoprop-2-en-1-yl)-4-methoxybenzene has found applications in polymer science. Its reactivity with various monomers and functional groups allows for its use as an intermediate in the synthesis of functional polymers, such as those used in adhesives, coatings, and composites.

Recent advancements in green chemistry have also turned attention to this compound. Researchers are investigating more efficient and environmentally friendly methods for its synthesis, aiming to reduce the reliance on hazardous reagents and energy-intensive processes. These efforts align with global trends toward sustainable chemical production.

In terms of toxicology, 1-(2-bromoprop-2-en-1-yl)-4-methoxybenzene has been evaluated for its potential risks to human health and the environment. While it exhibits moderate toxicity in experimental models, ongoing studies focus on identifying safer alternatives and optimizing its use in industrial applications.

Overall, 1-(2-bromoprop-2-en-1-yl)-4-methoxybenzene stands as a versatile and valuable compound with diverse applications across multiple fields. Its unique combination of structural features and reactivity positions it at the forefront of modern chemical research, offering promising avenues for innovation in pharmaceuticals, agriculture, and materials science.

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